SCHEMBL1019043

SCHEMBL1019043

CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1.O=S(=O)(Cl)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.46
FABP3 P05413 1/20 0.46
FABP5 Q01469 1/20 0.46
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
KAT6A Q92794 1/20 0.41
NLRP3 Q96P20 1/20 0.41
LARS1 Q9P2J5 1/20 0.40
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
PDE4B Q07343 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25642 0.80 LMNA (0.63) L3MBTL1LMNATDP1PKMATM
SCHEMBL29391838 0.80 LMNA (0.63) L3MBTL1LMNATDP1PKMATM
SCHEMBL162818 0.80 FABP4 (0.67) FABP4FABP3FABP5ENPP3ENPP1
SCHEMBL21501141 0.79 AKR1C3 (0.49) L3MBTL1LMNAKAT6AHTR2CHTR6
SCHEMBL27629181 0.79 LMNA (0.61) L3MBTL1LMNATDP1PKMATM
Hydrochloric Acid SCHEMBL7566123 0.79 LMNA (0.61) L3MBTL1LMNATDP1PKMATM
SCHEMBL7523945 0.76 L3MBTL1 (0.46) L3MBTL1LMNATDP1KAT6APKM
SCHEMBL1149006 0.75 LMNA (0.55) L3MBTL1LMNATDP1PKMATM
Toluene SCHEMBL14976648 0.74 LMNA (0.52) L3MBTL1LMNATDP1KAT6APKM
SCHEMBL2263563 0.73 LMNA (0.48) L3MBTL1LMNATDP1ATMF2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-7741337-B2 Azonafide derivatives, methods for their production and pharmaceutical compositions therefrom UNIBIOSCREEN S.A. (BE) 2010-06-22 US disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
EP-1963255-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
EP-1960365-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM Unibioscreen S.A. (BE) 2008-08-27 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
WO-2007071452-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO disclosed
WO-2007054292-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 FABP4 518/4885FABP3 1259/4885FABP5 386/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA FABP4 3254/4885FABP3 2447/4885FABP5 1959/4885
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom AADAC, NOTUM, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FABP4 856/4885FABP3 1327/4885FABP5 1376/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FABP4 4268/4885FABP3 2623/4885FABP5 3035/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.